Isoxazolo[4,5-b]pyridin-3-amine

Name: Isoxazolo[4,5-b]pyridin-3-amine
Brand: ChemScene
Availability: InStock
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CAS No. 114080-93-2
Cat. No. CS-W006620
Purity≥98%
MDL No.MFCD13193314

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Isoxazolo[4,5-b]pyridin-3-amine|CS-W006620

Structure of 114080-93-2

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General Information

CAS No. 114080-93-2
Cat. No. CS-W006620
Purity ≥98%
MDL No. MFCD13193314
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅N₃O
Molecular Weight 135.12
Synonym(s) Isoxazolo[4,5-b]pyridin-3-ylaMine
SMILES NC1=NOC2=CC=CN=C21

Description

Isoxazolo[4,5-b]pyridin-3-amine features a fused heterocyclic core combining isoxazole and pyridine moieties, delivering enhanced electron delocalization and hydrogen bonding capacity. This scaffold exhibits robust stability under standard conditions and integrates readily into medicinal chemistry libraries for kinase inhibition and CNS-targeted drug discovery.

Application

Isoxazolo[4,5-b]pyridin-3-amine serves as a privileged heterocyclic scaffold in medicinal chemistry, enabling efficient access to bioactive molecules through its robust nitrogen-rich framework. The compound exhibits favorable bench stability and functions as a versatile building block for constructing pharmacologically relevant architectures, particularly in kinase inhibitor and CNS-targeted drug discovery. Its compatibility with standard coupling reactions and tolerance to diverse functional groups facilitates straightforward derivatization in synthetic workflows.

Synthesis

Route1
- In-stock
  
  68325-15-5
- ~17%
- In-stock
  
  114080-93-2
References
- Dunn, A. D. Zeitschrift fuer Chemie (Stuttgart, Germany), 1987 , vol. 27, # 9 p. 337 - 338
Route2
- In-stock
  
  546-88-3
- In-stock
  
  38180-46-0
- ~24%
- In-stock
  
  114080-93-2
References
- Tichenor, Mark S.; Keith, John M.; Jones, William M.; Pierce, Joan M.; Merit, Jeff; Hawryluk, Natalie; Seierstad, Mark; Palmer, James A.; Webb, Michael; Karbarz, Mark J.; Wilson, Sandy J.; Wennerholm, Michelle L.; Woestenborghs, Filip; Beerens, Dominiek; Luo, Lin; Brown, Sean M.; Boeck, Marlies De; Chaplan, Sandra R.; Breitenbucher, J. Guy Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7357 - 7362

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 64.94
LogP 0.805
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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Isoxazolo[4,5-b]pyridin-3-amine

CAS No. 114080-93-2

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